4-(3,4-dimethylbenzene-1-sulfonyl)-5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazole
Chemical Structure Depiction of
4-(3,4-dimethylbenzene-1-sulfonyl)-5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazole
4-(3,4-dimethylbenzene-1-sulfonyl)-5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazole
Compound characteristics
Compound ID: | C595-0820 |
Compound Name: | 4-(3,4-dimethylbenzene-1-sulfonyl)-5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazole |
Molecular Weight: | 341.43 |
Molecular Formula: | C18 H19 N3 O2 S |
Smiles: | Cc1cccc(c1)n1c(C)c(nn1)S(c1ccc(C)c(C)c1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2625 |
logD: | 4.2625 |
logSw: | -4.345 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 56.357 |
InChI Key: | VWEHZBKRYWNKPF-UHFFFAOYSA-N |